7XNR
 
 | | SARS-CoV-2 Omicron BA.2.13 variant spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-29 | | Release date: | 2022-07-13 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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1IEZ
 | | Solution Structure of 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase of Riboflavin Biosynthesis | | Descriptor: | 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase | | Authors: | Kelly, M.J.S, Ball, L.J, Kuhne, R, Bacher, A, Oschkinat, H. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-07 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | The NMR structure of the 47-kDa dimeric enzyme 3,4-dihydroxy-2-butanone-4-phosphate synthase and ligand binding studies reveal the location of the active site.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1YNR
 | | Crystal structure of the cytochrome c-552 from Hydrogenobacter thermophilus at 2.0 resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c-552, HEME C, ... | | Authors: | Travaglini-Allocatelli, C, Gianni, S, Dubey, V.K, Borgia, A, Di Matteo, A, Bonivento, D, Cutruzzola, F, Bren, K.L, Brunori, M. | | Deposit date: | 2005-01-25 | | Release date: | 2005-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Obligatory Intermediate in the Folding Pathway of Cytochrome c552 from Hydrogenobacter thermophilus
J.Biol.Chem., 280, 2005
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6FCF
 | | CHK1 KINASE IN COMPLEX WITH COMPOUND 44 | | Descriptor: | 4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-17 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
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6FCK
 | | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | | Descriptor: | 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-17 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
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6FC8
 | | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | | Descriptor: | 2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-17 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors.
J. Med. Chem., 61, 2018
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5GXO
 | | Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Lu, J, Li, J, Wu, M, Wang, J, Xia, Q. | | Deposit date: | 2016-09-19 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase.
Free Radic. Biol. Med., 112, 2017
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6J8R
 | | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.575 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6J8Q
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN4
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | | Descriptor: | ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN5
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN3
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.216 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN6
 | | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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7JS8
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | | Descriptor: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-08-14 | | Release date: | 2021-08-11 | | Method: | X-RAY DIFFRACTION (1.634 Å) | | Cite: | Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.
J.Med.Chem., 64, 2021
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4PSX
 | | Crystal structure of histone acetyltransferase complex | | Descriptor: | COENZYME A, Histone H3, Histone H4, ... | | Authors: | Yang, M, Li, Y. | | Deposit date: | 2014-03-08 | | Release date: | 2014-07-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.509 Å) | | Cite: | Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
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4PSW
 | | Crystal structure of histone acetyltransferase complex | | Descriptor: | COENZYME A, Histone H4 type VIII, Histone acetyltransferase type B catalytic subunit, ... | | Authors: | Yang, M, Li, Y. | | Deposit date: | 2014-03-08 | | Release date: | 2014-07-09 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
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7YQU
 | | SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR3
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQZ
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR1
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with XG2v024 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQW
 | | SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQY
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQV
 | | pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR0
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (interface) | | Descriptor: | Heavy chain of S309, IGK@ protein, Spike protein S1, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQT
 | | SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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